USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 78:sc= -7.72! USER MOD Single : A 15 SER OG : rot 71:sc= 1.15 USER MOD Single : A 16 GLN : amide:sc= -1.72 K(o=-1.7,f=-7.3!) USER MOD Single : A 17 MET CE :methyl 139:sc= -9.24! (180deg=-10.2!) USER MOD Single : A 19 SER OG : rot 82:sc= 0.321 USER MOD Single : A 20 MET CE :methyl 165:sc= 0 (180deg=-0.0518) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.75! X(o=-1.8!,f=-1.3) USER MOD Single : A 38 TYR OH : rot 120:sc= -2.32! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.63) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000249) USER MOD Single : A 52 HIS : no HE2:sc= -0.032 X(o=-0.032,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.723 18.810 -11.423 1.00 0.00 N ATOM 2 CA GLY A 1 13.937 19.222 -10.224 1.00 0.00 C ATOM 3 C GLY A 1 13.837 18.048 -9.249 1.00 0.00 C ATOM 4 O GLY A 1 12.953 17.220 -9.346 1.00 0.00 O ATOM 0 H1 GLY A 1 14.790 19.609 -12.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.678 18.522 -11.130 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.249 18.011 -11.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.415 20.072 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.940 19.545 -10.523 1.00 0.00 H new ATOM 10 N SER A 2 14.737 17.968 -8.307 1.00 0.00 N ATOM 11 CA SER A 2 14.694 16.846 -7.326 1.00 0.00 C ATOM 12 C SER A 2 13.405 16.912 -6.500 1.00 0.00 C ATOM 13 O SER A 2 13.207 17.832 -5.732 1.00 0.00 O ATOM 14 CB SER A 2 15.914 17.055 -6.431 1.00 0.00 C ATOM 15 OG SER A 2 16.568 15.809 -6.229 1.00 0.00 O ATOM 0 H SER A 2 15.500 18.631 -8.174 1.00 0.00 H new ATOM 0 HA SER A 2 14.708 15.872 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.599 17.768 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.609 17.478 -5.474 1.00 0.00 H new ATOM 0 HG SER A 2 17.352 15.940 -5.656 1.00 0.00 H new ATOM 21 N PRO A 3 12.568 15.927 -6.687 1.00 0.00 N ATOM 22 CA PRO A 3 11.283 15.870 -5.949 1.00 0.00 C ATOM 23 C PRO A 3 11.527 15.511 -4.480 1.00 0.00 C ATOM 24 O PRO A 3 11.916 14.402 -4.169 1.00 0.00 O ATOM 25 CB PRO A 3 10.510 14.761 -6.659 1.00 0.00 C ATOM 26 CG PRO A 3 11.561 13.897 -7.283 1.00 0.00 C ATOM 27 CD PRO A 3 12.736 14.786 -7.594 1.00 0.00 C ATOM 0 HA PRO A 3 10.748 16.820 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.898 14.194 -5.957 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.836 15.169 -7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.853 13.095 -6.605 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.184 13.426 -8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.682 14.273 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.733 15.102 -8.637 1.00 0.00 H new ATOM 35 N PRO A 4 11.286 16.466 -3.624 1.00 0.00 N ATOM 36 CA PRO A 4 11.482 16.253 -2.169 1.00 0.00 C ATOM 37 C PRO A 4 10.361 15.379 -1.601 1.00 0.00 C ATOM 38 O PRO A 4 10.326 15.085 -0.422 1.00 0.00 O ATOM 39 CB PRO A 4 11.417 17.662 -1.589 1.00 0.00 C ATOM 40 CG PRO A 4 10.613 18.452 -2.572 1.00 0.00 C ATOM 41 CD PRO A 4 10.816 17.823 -3.926 1.00 0.00 C ATOM 0 HA PRO A 4 12.415 15.742 -1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.947 17.662 -0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.414 18.084 -1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.558 18.445 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.933 19.494 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.890 17.805 -4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.547 18.376 -4.517 1.00 0.00 H new ATOM 49 N GLU A 5 9.445 14.961 -2.431 1.00 0.00 N ATOM 50 CA GLU A 5 8.327 14.106 -1.939 1.00 0.00 C ATOM 51 C GLU A 5 8.568 12.642 -2.316 1.00 0.00 C ATOM 52 O GLU A 5 8.061 12.155 -3.306 1.00 0.00 O ATOM 53 CB GLU A 5 7.087 14.639 -2.635 1.00 0.00 C ATOM 54 CG GLU A 5 6.080 15.121 -1.588 1.00 0.00 C ATOM 55 CD GLU A 5 4.782 15.535 -2.282 1.00 0.00 C ATOM 56 OE1 GLU A 5 4.861 16.062 -3.379 1.00 0.00 O ATOM 57 OE2 GLU A 5 3.729 15.316 -1.706 1.00 0.00 O ATOM 0 H GLU A 5 9.422 15.174 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 5 8.232 14.139 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.355 15.459 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.640 13.860 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.882 14.329 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.492 15.963 -1.032 1.00 0.00 H new ATOM 64 N ALA A 6 9.337 11.936 -1.532 1.00 0.00 N ATOM 65 CA ALA A 6 9.608 10.504 -1.846 1.00 0.00 C ATOM 66 C ALA A 6 9.041 9.604 -0.746 1.00 0.00 C ATOM 67 O ALA A 6 8.482 8.558 -1.011 1.00 0.00 O ATOM 68 CB ALA A 6 11.132 10.392 -1.898 1.00 0.00 C ATOM 0 H ALA A 6 9.789 12.289 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 6 9.144 10.192 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.414 9.364 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.519 11.054 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.551 10.678 -0.933 1.00 0.00 H new ATOM 74 N ASP A 7 9.182 10.001 0.490 1.00 0.00 N ATOM 75 CA ASP A 7 8.652 9.165 1.605 1.00 0.00 C ATOM 76 C ASP A 7 9.207 7.742 1.504 1.00 0.00 C ATOM 77 O ASP A 7 8.779 6.966 0.673 1.00 0.00 O ATOM 78 CB ASP A 7 7.136 9.164 1.412 1.00 0.00 C ATOM 79 CG ASP A 7 6.565 10.519 1.835 1.00 0.00 C ATOM 80 OD1 ASP A 7 7.177 11.160 2.674 1.00 0.00 O ATOM 81 OD2 ASP A 7 5.527 10.892 1.314 1.00 0.00 O ATOM 0 H ASP A 7 9.640 10.866 0.775 1.00 0.00 H new ATOM 0 HA ASP A 7 8.937 9.550 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.892 8.965 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.684 8.367 2.003 1.00 0.00 H new ATOM 86 N PRO A 8 10.149 7.450 2.359 1.00 0.00 N ATOM 87 CA PRO A 8 10.776 6.107 2.370 1.00 0.00 C ATOM 88 C PRO A 8 9.813 5.069 2.950 1.00 0.00 C ATOM 89 O PRO A 8 9.929 3.889 2.688 1.00 0.00 O ATOM 90 CB PRO A 8 11.994 6.288 3.272 1.00 0.00 C ATOM 91 CG PRO A 8 11.653 7.444 4.157 1.00 0.00 C ATOM 92 CD PRO A 8 10.711 8.333 3.386 1.00 0.00 C ATOM 0 HA PRO A 8 11.039 5.749 1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.190 5.389 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.891 6.490 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.187 7.098 5.080 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.553 7.990 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.932 8.743 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.235 9.179 2.941 1.00 0.00 H new ATOM 100 N ARG A 9 8.861 5.497 3.734 1.00 0.00 N ATOM 101 CA ARG A 9 7.896 4.527 4.320 1.00 0.00 C ATOM 102 C ARG A 9 6.948 4.014 3.243 1.00 0.00 C ATOM 103 O ARG A 9 6.254 3.033 3.423 1.00 0.00 O ATOM 104 CB ARG A 9 7.140 5.307 5.381 1.00 0.00 C ATOM 105 CG ARG A 9 7.567 4.830 6.771 1.00 0.00 C ATOM 106 CD ARG A 9 6.821 5.637 7.837 1.00 0.00 C ATOM 107 NE ARG A 9 7.669 6.839 8.070 1.00 0.00 N ATOM 108 CZ ARG A 9 7.134 8.028 8.044 1.00 0.00 C ATOM 109 NH1 ARG A 9 6.758 8.551 6.910 1.00 0.00 N ATOM 110 NH2 ARG A 9 6.975 8.695 9.155 1.00 0.00 N ATOM 0 H ARG A 9 8.711 6.472 3.992 1.00 0.00 H new ATOM 0 HA ARG A 9 8.393 3.654 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.340 6.373 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.066 5.169 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.350 3.768 6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.643 4.951 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.824 5.917 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.694 5.060 8.753 1.00 0.00 H new ATOM 0 HE ARG A 9 8.667 6.732 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.882 8.030 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.340 9.481 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.269 8.286 10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.557 9.625 9.136 1.00 0.00 H new ATOM 124 N LEU A 10 6.923 4.665 2.118 1.00 0.00 N ATOM 125 CA LEU A 10 6.030 4.210 1.018 1.00 0.00 C ATOM 126 C LEU A 10 6.598 2.927 0.411 1.00 0.00 C ATOM 127 O LEU A 10 5.875 2.009 0.078 1.00 0.00 O ATOM 128 CB LEU A 10 6.034 5.353 -0.003 1.00 0.00 C ATOM 129 CG LEU A 10 5.709 4.816 -1.400 1.00 0.00 C ATOM 130 CD1 LEU A 10 4.705 5.743 -2.083 1.00 0.00 C ATOM 131 CD2 LEU A 10 6.991 4.750 -2.233 1.00 0.00 C ATOM 0 H LEU A 10 7.482 5.493 1.911 1.00 0.00 H new ATOM 0 HA LEU A 10 5.017 3.989 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.302 6.109 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.009 5.840 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 10 5.280 3.818 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.474 5.360 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.791 5.789 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.132 6.742 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.760 4.368 -3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.421 5.748 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.707 4.087 -1.747 1.00 0.00 H new ATOM 143 N ILE A 11 7.892 2.858 0.274 1.00 0.00 N ATOM 144 CA ILE A 11 8.511 1.637 -0.300 1.00 0.00 C ATOM 145 C ILE A 11 8.320 0.473 0.677 1.00 0.00 C ATOM 146 O ILE A 11 7.923 -0.609 0.292 1.00 0.00 O ATOM 147 CB ILE A 11 9.995 2.008 -0.497 1.00 0.00 C ATOM 148 CG1 ILE A 11 10.280 2.151 -1.994 1.00 0.00 C ATOM 149 CG2 ILE A 11 10.918 0.933 0.089 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.098 0.796 -2.681 1.00 0.00 C ATOM 0 H ILE A 11 8.546 3.596 0.535 1.00 0.00 H new ATOM 0 HA ILE A 11 8.069 1.318 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 11 10.188 2.947 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.607 2.887 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.296 2.515 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.957 1.223 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.724 0.830 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.729 -0.019 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.301 0.898 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.789 0.073 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.074 0.450 -2.538 1.00 0.00 H new ATOM 162 N GLU A 12 8.581 0.685 1.938 1.00 0.00 N ATOM 163 CA GLU A 12 8.389 -0.417 2.909 1.00 0.00 C ATOM 164 C GLU A 12 7.027 -1.052 2.666 1.00 0.00 C ATOM 165 O GLU A 12 6.925 -2.207 2.300 1.00 0.00 O ATOM 166 CB GLU A 12 8.451 0.232 4.280 1.00 0.00 C ATOM 167 CG GLU A 12 9.619 -0.355 5.074 1.00 0.00 C ATOM 168 CD GLU A 12 10.937 0.197 4.528 1.00 0.00 C ATOM 169 OE1 GLU A 12 11.109 1.404 4.556 1.00 0.00 O ATOM 170 OE2 GLU A 12 11.754 -0.598 4.090 1.00 0.00 O ATOM 0 H GLU A 12 8.915 1.565 2.330 1.00 0.00 H new ATOM 0 HA GLU A 12 9.141 -1.200 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.573 1.310 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.515 0.067 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.517 -0.104 6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.611 -1.443 5.003 1.00 0.00 H new ATOM 177 N SER A 13 5.973 -0.302 2.838 1.00 0.00 N ATOM 178 CA SER A 13 4.632 -0.865 2.580 1.00 0.00 C ATOM 179 C SER A 13 4.635 -1.496 1.193 1.00 0.00 C ATOM 180 O SER A 13 4.284 -2.644 1.021 1.00 0.00 O ATOM 181 CB SER A 13 3.680 0.327 2.640 1.00 0.00 C ATOM 182 OG SER A 13 2.903 0.247 3.827 1.00 0.00 O ATOM 0 H SER A 13 5.989 0.671 3.145 1.00 0.00 H new ATOM 0 HA SER A 13 4.338 -1.633 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.244 1.259 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.030 0.332 1.765 1.00 0.00 H new ATOM 0 HG SER A 13 3.441 0.542 4.591 1.00 0.00 H new ATOM 188 N LEU A 14 5.051 -0.758 0.200 1.00 0.00 N ATOM 189 CA LEU A 14 5.094 -1.331 -1.173 1.00 0.00 C ATOM 190 C LEU A 14 5.870 -2.647 -1.157 1.00 0.00 C ATOM 191 O LEU A 14 5.544 -3.576 -1.869 1.00 0.00 O ATOM 192 CB LEU A 14 5.822 -0.279 -2.017 1.00 0.00 C ATOM 193 CG LEU A 14 5.620 -0.566 -3.507 1.00 0.00 C ATOM 194 CD1 LEU A 14 6.176 -1.950 -3.850 1.00 0.00 C ATOM 195 CD2 LEU A 14 4.128 -0.522 -3.835 1.00 0.00 C ATOM 0 H LEU A 14 5.361 0.211 0.280 1.00 0.00 H new ATOM 0 HA LEU A 14 4.103 -1.549 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.446 0.715 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.886 -0.283 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 14 6.147 0.188 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.029 -2.148 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.241 -1.982 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.655 -2.707 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.982 -0.726 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.604 -1.274 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.732 0.466 -3.598 1.00 0.00 H new ATOM 207 N SER A 15 6.897 -2.741 -0.356 1.00 0.00 N ATOM 208 CA SER A 15 7.676 -4.001 -0.318 1.00 0.00 C ATOM 209 C SER A 15 6.820 -5.136 0.242 1.00 0.00 C ATOM 210 O SER A 15 6.854 -6.245 -0.251 1.00 0.00 O ATOM 211 CB SER A 15 8.866 -3.714 0.597 1.00 0.00 C ATOM 212 OG SER A 15 9.679 -2.708 0.007 1.00 0.00 O ATOM 0 H SER A 15 7.225 -2.003 0.267 1.00 0.00 H new ATOM 0 HA SER A 15 8.001 -4.313 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.516 -3.387 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.447 -4.623 0.753 1.00 0.00 H new ATOM 0 HG SER A 15 9.213 -1.847 0.046 1.00 0.00 H new ATOM 218 N GLN A 16 6.056 -4.881 1.271 1.00 0.00 N ATOM 219 CA GLN A 16 5.222 -5.956 1.840 1.00 0.00 C ATOM 220 C GLN A 16 4.111 -6.344 0.861 1.00 0.00 C ATOM 221 O GLN A 16 3.705 -7.487 0.804 1.00 0.00 O ATOM 222 CB GLN A 16 4.676 -5.379 3.149 1.00 0.00 C ATOM 223 CG GLN A 16 3.365 -4.626 2.907 1.00 0.00 C ATOM 224 CD GLN A 16 2.183 -5.560 3.175 1.00 0.00 C ATOM 225 OE1 GLN A 16 1.715 -6.238 2.282 1.00 0.00 O ATOM 226 NE2 GLN A 16 1.675 -5.623 4.377 1.00 0.00 N ATOM 0 H GLN A 16 5.980 -3.975 1.734 1.00 0.00 H new ATOM 0 HA GLN A 16 5.779 -6.875 2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 16 4.511 -6.184 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.411 -4.706 3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.308 -3.754 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.328 -4.260 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.068 -5.054 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.886 -6.241 4.565 1.00 0.00 H new ATOM 235 N MET A 17 3.624 -5.422 0.070 1.00 0.00 N ATOM 236 CA MET A 17 2.572 -5.797 -0.895 1.00 0.00 C ATOM 237 C MET A 17 3.208 -6.582 -2.039 1.00 0.00 C ATOM 238 O MET A 17 2.576 -7.405 -2.670 1.00 0.00 O ATOM 239 CB MET A 17 2.001 -4.482 -1.406 1.00 0.00 C ATOM 240 CG MET A 17 1.561 -3.601 -0.238 1.00 0.00 C ATOM 241 SD MET A 17 0.649 -2.180 -0.892 1.00 0.00 S ATOM 242 CE MET A 17 1.858 -0.907 -0.459 1.00 0.00 C ATOM 0 H MET A 17 3.910 -4.443 0.057 1.00 0.00 H new ATOM 0 HA MET A 17 1.795 -6.419 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.750 -3.960 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.153 -4.677 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.933 -4.169 0.448 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.429 -3.264 0.329 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.940 -0.190 -1.276 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.535 -0.391 0.445 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.829 -1.371 -0.284 1.00 0.00 H new ATOM 252 N LEU A 18 4.467 -6.340 -2.306 1.00 0.00 N ATOM 253 CA LEU A 18 5.141 -7.085 -3.401 1.00 0.00 C ATOM 254 C LEU A 18 5.305 -8.543 -2.991 1.00 0.00 C ATOM 255 O LEU A 18 5.398 -9.431 -3.817 1.00 0.00 O ATOM 256 CB LEU A 18 6.502 -6.408 -3.574 1.00 0.00 C ATOM 257 CG LEU A 18 6.979 -6.584 -5.018 1.00 0.00 C ATOM 258 CD1 LEU A 18 7.160 -5.212 -5.669 1.00 0.00 C ATOM 259 CD2 LEU A 18 8.315 -7.330 -5.022 1.00 0.00 C ATOM 0 H LEU A 18 5.050 -5.663 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 18 4.574 -7.071 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.426 -5.348 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.226 -6.842 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 18 6.239 -7.155 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.500 -5.339 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.209 -4.679 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.900 -4.639 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.658 -7.457 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.053 -6.757 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.187 -8.308 -4.559 1.00 0.00 H new ATOM 271 N SER A 19 5.324 -8.793 -1.716 1.00 0.00 N ATOM 272 CA SER A 19 5.462 -10.194 -1.234 1.00 0.00 C ATOM 273 C SER A 19 4.125 -10.667 -0.663 1.00 0.00 C ATOM 274 O SER A 19 4.072 -11.442 0.271 1.00 0.00 O ATOM 275 CB SER A 19 6.527 -10.142 -0.142 1.00 0.00 C ATOM 276 OG SER A 19 7.523 -9.193 -0.503 1.00 0.00 O ATOM 0 H SER A 19 5.250 -8.087 -0.983 1.00 0.00 H new ATOM 0 HA SER A 19 5.742 -10.886 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.074 -9.867 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.977 -11.126 -0.009 1.00 0.00 H new ATOM 0 HG SER A 19 7.216 -8.292 -0.270 1.00 0.00 H new ATOM 282 N MET A 20 3.043 -10.195 -1.220 1.00 0.00 N ATOM 283 CA MET A 20 1.705 -10.602 -0.715 1.00 0.00 C ATOM 284 C MET A 20 0.954 -11.415 -1.764 1.00 0.00 C ATOM 285 O MET A 20 0.630 -12.570 -1.565 1.00 0.00 O ATOM 286 CB MET A 20 0.982 -9.296 -0.429 1.00 0.00 C ATOM 287 CG MET A 20 0.731 -9.176 1.075 1.00 0.00 C ATOM 288 SD MET A 20 -0.582 -10.323 1.559 1.00 0.00 S ATOM 289 CE MET A 20 0.365 -11.251 2.791 1.00 0.00 C ATOM 0 H MET A 20 3.030 -9.544 -2.005 1.00 0.00 H new ATOM 0 HA MET A 20 1.777 -11.234 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.578 -8.453 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.037 -9.264 -0.971 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.645 -9.398 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.447 -8.154 1.327 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.316 -11.837 3.408 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.062 -11.919 2.286 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.920 -10.557 3.422 1.00 0.00 H new ATOM 299 N GLY A 21 0.662 -10.808 -2.867 1.00 0.00 N ATOM 300 CA GLY A 21 -0.086 -11.503 -3.937 1.00 0.00 C ATOM 301 C GLY A 21 -1.236 -10.607 -4.343 1.00 0.00 C ATOM 302 O GLY A 21 -2.370 -11.027 -4.458 1.00 0.00 O ATOM 0 H GLY A 21 0.914 -9.842 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.563 -11.705 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.456 -12.465 -3.583 1.00 0.00 H new ATOM 306 N PHE A 22 -0.947 -9.357 -4.500 1.00 0.00 N ATOM 307 CA PHE A 22 -2.005 -8.387 -4.830 1.00 0.00 C ATOM 308 C PHE A 22 -1.927 -7.881 -6.262 1.00 0.00 C ATOM 309 O PHE A 22 -1.084 -8.263 -7.048 1.00 0.00 O ATOM 310 CB PHE A 22 -1.747 -7.253 -3.857 1.00 0.00 C ATOM 311 CG PHE A 22 -2.152 -7.686 -2.482 1.00 0.00 C ATOM 312 CD1 PHE A 22 -3.313 -8.439 -2.300 1.00 0.00 C ATOM 313 CD2 PHE A 22 -1.375 -7.316 -1.386 1.00 0.00 C ATOM 314 CE1 PHE A 22 -3.697 -8.821 -1.020 1.00 0.00 C ATOM 315 CE2 PHE A 22 -1.763 -7.693 -0.105 1.00 0.00 C ATOM 316 CZ PHE A 22 -2.927 -8.450 0.078 1.00 0.00 C ATOM 0 H PHE A 22 -0.011 -8.962 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.997 -8.832 -4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.692 -6.979 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.310 -6.368 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.912 -8.724 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.474 -6.738 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.594 -9.406 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.167 -7.402 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.227 -8.746 1.072 1.00 0.00 H new ATOM 326 N SER A 23 -2.841 -7.016 -6.583 1.00 0.00 N ATOM 327 CA SER A 23 -2.918 -6.431 -7.936 1.00 0.00 C ATOM 328 C SER A 23 -2.381 -5.000 -7.935 1.00 0.00 C ATOM 329 O SER A 23 -1.453 -4.667 -7.225 1.00 0.00 O ATOM 330 CB SER A 23 -4.410 -6.417 -8.255 1.00 0.00 C ATOM 331 OG SER A 23 -4.615 -6.839 -9.597 1.00 0.00 O ATOM 0 H SER A 23 -3.559 -6.683 -5.940 1.00 0.00 H new ATOM 0 HA SER A 23 -2.330 -6.993 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.945 -7.075 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.813 -5.414 -8.113 1.00 0.00 H new ATOM 0 HG SER A 23 -5.574 -6.831 -9.800 1.00 0.00 H new ATOM 337 N ASP A 24 -2.977 -4.149 -8.725 1.00 0.00 N ATOM 338 CA ASP A 24 -2.533 -2.733 -8.780 1.00 0.00 C ATOM 339 C ASP A 24 -3.638 -1.872 -9.395 1.00 0.00 C ATOM 340 O ASP A 24 -3.375 -0.914 -10.091 1.00 0.00 O ATOM 341 CB ASP A 24 -1.295 -2.740 -9.673 1.00 0.00 C ATOM 342 CG ASP A 24 -0.443 -1.505 -9.376 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.722 -0.839 -8.393 1.00 0.00 O ATOM 344 OD2 ASP A 24 0.475 -1.246 -10.138 1.00 0.00 O ATOM 0 H ASP A 24 -3.759 -4.379 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.315 -2.323 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.714 -3.646 -9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.591 -2.747 -10.722 1.00 0.00 H new ATOM 349 N GLU A 25 -4.877 -2.207 -9.143 1.00 0.00 N ATOM 350 CA GLU A 25 -5.993 -1.400 -9.713 1.00 0.00 C ATOM 351 C GLU A 25 -5.687 0.086 -9.533 1.00 0.00 C ATOM 352 O GLU A 25 -5.210 0.506 -8.498 1.00 0.00 O ATOM 353 CB GLU A 25 -7.229 -1.801 -8.906 1.00 0.00 C ATOM 354 CG GLU A 25 -8.037 -2.837 -9.690 1.00 0.00 C ATOM 355 CD GLU A 25 -7.158 -4.053 -9.991 1.00 0.00 C ATOM 356 OE1 GLU A 25 -6.414 -3.998 -10.957 1.00 0.00 O ATOM 357 OE2 GLU A 25 -7.243 -5.019 -9.251 1.00 0.00 O ATOM 0 H GLU A 25 -5.162 -3.001 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.139 -1.575 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.929 -2.212 -7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.843 -0.924 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.912 -3.141 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.402 -2.401 -10.620 1.00 0.00 H new ATOM 364 N GLY A 26 -5.936 0.888 -10.532 1.00 0.00 N ATOM 365 CA GLY A 26 -5.629 2.338 -10.397 1.00 0.00 C ATOM 366 C GLY A 26 -4.221 2.477 -9.821 1.00 0.00 C ATOM 367 O GLY A 26 -3.887 3.456 -9.183 1.00 0.00 O ATOM 0 H GLY A 26 -6.335 0.605 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.693 2.832 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.356 2.821 -9.744 1.00 0.00 H new ATOM 371 N GLY A 27 -3.394 1.491 -10.045 1.00 0.00 N ATOM 372 CA GLY A 27 -2.006 1.534 -9.520 1.00 0.00 C ATOM 373 C GLY A 27 -2.031 1.788 -8.013 1.00 0.00 C ATOM 374 O GLY A 27 -1.349 2.663 -7.516 1.00 0.00 O ATOM 0 H GLY A 27 -3.627 0.651 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.498 0.593 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.442 2.320 -10.021 1.00 0.00 H new ATOM 378 N TRP A 28 -2.812 1.043 -7.273 1.00 0.00 N ATOM 379 CA TRP A 28 -2.866 1.268 -5.813 1.00 0.00 C ATOM 380 C TRP A 28 -1.695 0.580 -5.108 1.00 0.00 C ATOM 381 O TRP A 28 -1.265 1.015 -4.059 1.00 0.00 O ATOM 382 CB TRP A 28 -4.205 0.692 -5.364 1.00 0.00 C ATOM 383 CG TRP A 28 -4.219 -0.790 -5.469 1.00 0.00 C ATOM 384 CD1 TRP A 28 -4.970 -1.473 -6.340 1.00 0.00 C ATOM 385 CD2 TRP A 28 -3.510 -1.772 -4.685 1.00 0.00 C ATOM 386 NE1 TRP A 28 -4.753 -2.827 -6.164 1.00 0.00 N ATOM 387 CE2 TRP A 28 -3.859 -3.060 -5.148 1.00 0.00 C ATOM 388 CE3 TRP A 28 -2.604 -1.674 -3.634 1.00 0.00 C ATOM 389 CZ2 TRP A 28 -3.323 -4.207 -4.580 1.00 0.00 C ATOM 390 CZ3 TRP A 28 -2.070 -2.812 -3.057 1.00 0.00 C ATOM 391 CH2 TRP A 28 -2.421 -4.082 -3.520 1.00 0.00 C ATOM 0 H TRP A 28 -3.409 0.294 -7.623 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.784 2.325 -5.562 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.403 0.987 -4.334 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.006 1.109 -5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.640 -1.036 -7.066 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.199 -3.558 -6.717 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.315 -0.701 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.599 -5.183 -4.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.373 -2.717 -2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.997 -4.963 -3.061 1.00 0.00 H new ATOM 402 N LEU A 29 -1.152 -0.465 -5.654 1.00 0.00 N ATOM 403 CA LEU A 29 -0.005 -1.100 -4.957 1.00 0.00 C ATOM 404 C LEU A 29 1.006 -0.013 -4.583 1.00 0.00 C ATOM 405 O LEU A 29 1.630 -0.064 -3.544 1.00 0.00 O ATOM 406 CB LEU A 29 0.581 -2.111 -5.941 1.00 0.00 C ATOM 407 CG LEU A 29 0.516 -3.495 -5.295 1.00 0.00 C ATOM 408 CD1 LEU A 29 1.257 -4.522 -6.148 1.00 0.00 C ATOM 409 CD2 LEU A 29 1.168 -3.428 -3.917 1.00 0.00 C ATOM 0 H LEU A 29 -1.442 -0.899 -6.530 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.293 -1.605 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.021 -2.101 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.612 -1.852 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.528 -3.797 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.199 -5.501 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.800 -4.572 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.302 -4.227 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.127 -4.411 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.208 -3.119 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.635 -2.707 -3.297 1.00 0.00 H new ATOM 421 N THR A 30 1.146 0.984 -5.414 1.00 0.00 N ATOM 422 CA THR A 30 2.092 2.094 -5.101 1.00 0.00 C ATOM 423 C THR A 30 1.328 3.322 -4.579 1.00 0.00 C ATOM 424 O THR A 30 1.873 4.148 -3.875 1.00 0.00 O ATOM 425 CB THR A 30 2.780 2.416 -6.429 1.00 0.00 C ATOM 426 OG1 THR A 30 3.602 1.323 -6.812 1.00 0.00 O ATOM 427 CG2 THR A 30 3.638 3.673 -6.270 1.00 0.00 C ATOM 0 H THR A 30 0.645 1.078 -6.298 1.00 0.00 H new ATOM 0 HA THR A 30 2.807 1.816 -4.326 1.00 0.00 H new ATOM 0 HB THR A 30 2.026 2.589 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.042 1.527 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.128 3.901 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.005 4.511 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.393 3.503 -5.503 1.00 0.00 H new ATOM 435 N ARG A 31 0.074 3.458 -4.934 1.00 0.00 N ATOM 436 CA ARG A 31 -0.717 4.643 -4.471 1.00 0.00 C ATOM 437 C ARG A 31 -1.623 4.279 -3.285 1.00 0.00 C ATOM 438 O ARG A 31 -1.829 5.068 -2.385 1.00 0.00 O ATOM 439 CB ARG A 31 -1.558 5.049 -5.682 1.00 0.00 C ATOM 440 CG ARG A 31 -2.663 6.008 -5.240 1.00 0.00 C ATOM 441 CD ARG A 31 -3.251 6.712 -6.466 1.00 0.00 C ATOM 442 NE ARG A 31 -3.853 5.622 -7.283 1.00 0.00 N ATOM 443 CZ ARG A 31 -5.129 5.643 -7.557 1.00 0.00 C ATOM 444 NH1 ARG A 31 -5.611 6.561 -8.349 1.00 0.00 N ATOM 445 NH2 ARG A 31 -5.924 4.748 -7.037 1.00 0.00 N ATOM 0 H ARG A 31 -0.437 2.801 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.071 5.449 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.927 5.526 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.994 4.165 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.444 5.461 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.263 6.744 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.001 7.449 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.480 7.244 -7.024 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.269 4.860 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.991 7.262 -8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.608 6.577 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.548 4.031 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.921 4.765 -7.252 1.00 0.00 H new ATOM 459 N LEU A 32 -2.169 3.095 -3.283 1.00 0.00 N ATOM 460 CA LEU A 32 -3.060 2.677 -2.164 1.00 0.00 C ATOM 461 C LEU A 32 -2.459 3.148 -0.839 1.00 0.00 C ATOM 462 O LEU A 32 -2.999 3.997 -0.157 1.00 0.00 O ATOM 463 CB LEU A 32 -3.077 1.157 -2.204 1.00 0.00 C ATOM 464 CG LEU A 32 -4.281 0.637 -1.416 1.00 0.00 C ATOM 465 CD1 LEU A 32 -5.345 0.122 -2.388 1.00 0.00 C ATOM 466 CD2 LEU A 32 -3.836 -0.506 -0.501 1.00 0.00 C ATOM 0 H LEU A 32 -2.036 2.395 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.062 3.097 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.128 0.811 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.154 0.762 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.697 1.446 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.202 -0.248 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.663 0.933 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.928 -0.686 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.693 -0.877 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.420 -1.313 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.077 -0.143 0.192 1.00 0.00 H new ATOM 478 N LEU A 33 -1.317 2.607 -0.490 1.00 0.00 N ATOM 479 CA LEU A 33 -0.635 3.013 0.765 1.00 0.00 C ATOM 480 C LEU A 33 -0.519 4.539 0.800 1.00 0.00 C ATOM 481 O LEU A 33 -0.639 5.159 1.836 1.00 0.00 O ATOM 482 CB LEU A 33 0.735 2.305 0.686 1.00 0.00 C ATOM 483 CG LEU A 33 1.780 3.159 -0.039 1.00 0.00 C ATOM 484 CD1 LEU A 33 3.175 2.772 0.451 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.693 2.884 -1.533 1.00 0.00 C ATOM 0 H LEU A 33 -0.828 1.894 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.162 2.736 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.086 2.080 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.622 1.353 0.168 1.00 0.00 H new ATOM 0 HG LEU A 33 1.595 4.214 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.922 3.377 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.244 2.944 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.355 1.718 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.433 3.488 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.887 1.828 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.696 3.139 -1.892 1.00 0.00 H new ATOM 497 N GLN A 34 -0.298 5.150 -0.331 1.00 0.00 N ATOM 498 CA GLN A 34 -0.185 6.621 -0.375 1.00 0.00 C ATOM 499 C GLN A 34 -1.549 7.263 -0.103 1.00 0.00 C ATOM 500 O GLN A 34 -1.639 8.333 0.464 1.00 0.00 O ATOM 501 CB GLN A 34 0.282 6.928 -1.796 1.00 0.00 C ATOM 502 CG GLN A 34 1.808 6.965 -1.835 1.00 0.00 C ATOM 503 CD GLN A 34 2.271 8.235 -2.551 1.00 0.00 C ATOM 504 OE1 GLN A 34 2.129 9.324 -2.035 1.00 0.00 O ATOM 505 NE2 GLN A 34 2.823 8.138 -3.731 1.00 0.00 N ATOM 0 H GLN A 34 -0.191 4.682 -1.231 1.00 0.00 H new ATOM 0 HA GLN A 34 0.502 7.012 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.091 6.170 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.124 7.885 -2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.209 6.940 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.190 6.084 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.942 7.222 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.135 8.978 -4.219 1.00 0.00 H new ATOM 514 N THR A 35 -2.611 6.622 -0.513 1.00 0.00 N ATOM 515 CA THR A 35 -3.960 7.199 -0.290 1.00 0.00 C ATOM 516 C THR A 35 -4.363 7.111 1.187 1.00 0.00 C ATOM 517 O THR A 35 -5.359 7.673 1.597 1.00 0.00 O ATOM 518 CB THR A 35 -4.891 6.360 -1.154 1.00 0.00 C ATOM 519 OG1 THR A 35 -4.761 6.758 -2.512 1.00 0.00 O ATOM 520 CG2 THR A 35 -6.341 6.548 -0.700 1.00 0.00 C ATOM 0 H THR A 35 -2.598 5.722 -0.993 1.00 0.00 H new ATOM 0 HA THR A 35 -3.997 8.257 -0.550 1.00 0.00 H new ATOM 0 HB THR A 35 -4.622 5.309 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.359 6.218 -3.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.999 5.944 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.440 6.236 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.618 7.598 -0.792 1.00 0.00 H new ATOM 528 N LYS A 36 -3.608 6.410 1.991 1.00 0.00 N ATOM 529 CA LYS A 36 -3.978 6.297 3.434 1.00 0.00 C ATOM 530 C LYS A 36 -2.743 6.026 4.303 1.00 0.00 C ATOM 531 O LYS A 36 -2.668 5.026 4.989 1.00 0.00 O ATOM 532 CB LYS A 36 -4.945 5.114 3.495 1.00 0.00 C ATOM 533 CG LYS A 36 -5.910 5.300 4.667 1.00 0.00 C ATOM 534 CD LYS A 36 -6.865 4.107 4.738 1.00 0.00 C ATOM 535 CE LYS A 36 -8.127 4.509 5.505 1.00 0.00 C ATOM 536 NZ LYS A 36 -9.219 4.475 4.491 1.00 0.00 N ATOM 0 H LYS A 36 -2.760 5.915 1.716 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.421 7.218 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.502 5.038 2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.390 4.183 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.353 5.389 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.475 6.224 4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.127 3.777 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.378 3.267 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.328 3.819 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.024 5.502 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.119 4.739 4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.004 5.146 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.298 3.516 4.098 1.00 0.00 H new ATOM 550 N ASN A 37 -1.785 6.917 4.290 1.00 0.00 N ATOM 551 CA ASN A 37 -0.555 6.731 5.122 1.00 0.00 C ATOM 552 C ASN A 37 -0.150 5.254 5.185 1.00 0.00 C ATOM 553 O ASN A 37 -0.102 4.657 6.242 1.00 0.00 O ATOM 554 CB ASN A 37 -0.944 7.236 6.511 1.00 0.00 C ATOM 555 CG ASN A 37 0.251 7.101 7.458 1.00 0.00 C ATOM 556 OD1 ASN A 37 1.088 7.977 7.528 1.00 0.00 O ATOM 557 ND2 ASN A 37 0.365 6.029 8.196 1.00 0.00 N ATOM 0 H ASN A 37 -1.801 7.772 3.735 1.00 0.00 H new ATOM 0 HA ASN A 37 0.299 7.266 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.261 8.277 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.790 6.665 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.157 5.929 8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.338 5.292 8.138 1.00 0.00 H new ATOM 564 N TYR A 38 0.144 4.664 4.059 1.00 0.00 N ATOM 565 CA TYR A 38 0.550 3.227 4.035 1.00 0.00 C ATOM 566 C TYR A 38 -0.274 2.417 5.029 1.00 0.00 C ATOM 567 O TYR A 38 0.251 1.722 5.876 1.00 0.00 O ATOM 568 CB TYR A 38 2.031 3.218 4.408 1.00 0.00 C ATOM 569 CG TYR A 38 2.728 4.338 3.684 1.00 0.00 C ATOM 570 CD1 TYR A 38 2.262 4.724 2.431 1.00 0.00 C ATOM 571 CD2 TYR A 38 3.822 4.994 4.260 1.00 0.00 C ATOM 572 CE1 TYR A 38 2.875 5.765 1.743 1.00 0.00 C ATOM 573 CE2 TYR A 38 4.445 6.040 3.570 1.00 0.00 C ATOM 574 CZ TYR A 38 3.971 6.428 2.311 1.00 0.00 C ATOM 575 OH TYR A 38 4.578 7.467 1.635 1.00 0.00 O ATOM 0 H TYR A 38 0.121 5.118 3.146 1.00 0.00 H new ATOM 0 HA TYR A 38 0.382 2.772 3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.148 3.336 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.480 2.261 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.419 4.212 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.184 4.694 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.507 6.062 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.291 6.548 4.009 1.00 0.00 H new ATOM 0 HH TYR A 38 4.524 8.284 2.174 1.00 0.00 H new ATOM 585 N ASP A 39 -1.567 2.494 4.917 1.00 0.00 N ATOM 586 CA ASP A 39 -2.447 1.722 5.838 1.00 0.00 C ATOM 587 C ASP A 39 -2.714 0.334 5.253 1.00 0.00 C ATOM 588 O ASP A 39 -3.709 -0.295 5.555 1.00 0.00 O ATOM 589 CB ASP A 39 -3.743 2.529 5.916 1.00 0.00 C ATOM 590 CG ASP A 39 -3.804 3.266 7.255 1.00 0.00 C ATOM 591 OD1 ASP A 39 -4.083 2.621 8.253 1.00 0.00 O ATOM 592 OD2 ASP A 39 -3.571 4.464 7.261 1.00 0.00 O ATOM 0 H ASP A 39 -2.057 3.061 4.225 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.000 1.578 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.790 3.243 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.603 1.867 5.813 1.00 0.00 H new ATOM 597 N ILE A 40 -1.837 -0.141 4.404 1.00 0.00 N ATOM 598 CA ILE A 40 -2.054 -1.486 3.787 1.00 0.00 C ATOM 599 C ILE A 40 -2.597 -2.471 4.817 1.00 0.00 C ATOM 600 O ILE A 40 -3.654 -3.008 4.646 1.00 0.00 O ATOM 601 CB ILE A 40 -0.703 -1.992 3.245 1.00 0.00 C ATOM 602 CG1 ILE A 40 0.471 -1.265 3.911 1.00 0.00 C ATOM 603 CG2 ILE A 40 -0.651 -1.770 1.731 1.00 0.00 C ATOM 604 CD1 ILE A 40 1.761 -2.044 3.647 1.00 0.00 C ATOM 0 H ILE A 40 -0.986 0.340 4.113 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.783 -1.404 2.981 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.617 -3.055 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.557 -0.252 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.298 -1.177 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.303 -2.127 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.464 -2.318 1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.756 -0.707 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.599 -1.531 4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.671 -3.048 4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.934 -2.109 2.573 1.00 0.00 H new ATOM 616 N GLY A 41 -1.896 -2.728 5.881 1.00 0.00 N ATOM 617 CA GLY A 41 -2.431 -3.707 6.872 1.00 0.00 C ATOM 618 C GLY A 41 -3.926 -3.469 7.086 1.00 0.00 C ATOM 619 O GLY A 41 -4.691 -4.395 7.259 1.00 0.00 O ATOM 0 H GLY A 41 -0.992 -2.314 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.263 -4.724 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.899 -3.607 7.818 1.00 0.00 H new ATOM 623 N ALA A 42 -4.353 -2.241 7.045 1.00 0.00 N ATOM 624 CA ALA A 42 -5.795 -1.954 7.209 1.00 0.00 C ATOM 625 C ALA A 42 -6.453 -1.932 5.833 1.00 0.00 C ATOM 626 O ALA A 42 -7.639 -2.157 5.690 1.00 0.00 O ATOM 627 CB ALA A 42 -5.855 -0.577 7.874 1.00 0.00 C ATOM 0 H ALA A 42 -3.760 -1.423 6.904 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.317 -2.700 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.896 -0.293 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.342 -0.614 8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.370 0.159 7.232 1.00 0.00 H new ATOM 633 N ALA A 43 -5.678 -1.683 4.816 1.00 0.00 N ATOM 634 CA ALA A 43 -6.233 -1.668 3.438 1.00 0.00 C ATOM 635 C ALA A 43 -6.110 -3.063 2.828 1.00 0.00 C ATOM 636 O ALA A 43 -6.910 -3.459 2.006 1.00 0.00 O ATOM 637 CB ALA A 43 -5.376 -0.663 2.670 1.00 0.00 C ATOM 0 H ALA A 43 -4.679 -1.488 4.882 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.287 -1.392 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.727 -0.597 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.452 0.316 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.336 -0.990 2.679 1.00 0.00 H new ATOM 643 N LEU A 44 -5.126 -3.824 3.240 1.00 0.00 N ATOM 644 CA LEU A 44 -4.979 -5.189 2.694 1.00 0.00 C ATOM 645 C LEU A 44 -6.262 -5.947 2.945 1.00 0.00 C ATOM 646 O LEU A 44 -6.638 -6.820 2.192 1.00 0.00 O ATOM 647 CB LEU A 44 -3.815 -5.808 3.428 1.00 0.00 C ATOM 648 CG LEU A 44 -2.921 -6.475 2.395 1.00 0.00 C ATOM 649 CD1 LEU A 44 -1.726 -5.581 2.074 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.445 -7.809 2.940 1.00 0.00 C ATOM 0 H LEU A 44 -4.425 -3.551 3.929 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.793 -5.202 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.262 -5.047 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.167 -6.537 4.158 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.485 -6.636 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.094 -6.071 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.080 -4.629 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.150 -5.404 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.803 -8.294 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.884 -7.647 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.305 -8.446 3.147 1.00 0.00 H new ATOM 662 N ASP A 45 -6.976 -5.582 3.964 1.00 0.00 N ATOM 663 CA ASP A 45 -8.264 -6.254 4.194 1.00 0.00 C ATOM 664 C ASP A 45 -9.087 -6.052 2.923 1.00 0.00 C ATOM 665 O ASP A 45 -9.971 -6.819 2.598 1.00 0.00 O ATOM 666 CB ASP A 45 -8.859 -5.559 5.438 1.00 0.00 C ATOM 667 CG ASP A 45 -10.018 -4.632 5.048 1.00 0.00 C ATOM 668 OD1 ASP A 45 -11.088 -5.143 4.759 1.00 0.00 O ATOM 669 OD2 ASP A 45 -9.814 -3.429 5.047 1.00 0.00 O ATOM 0 H ASP A 45 -6.724 -4.857 4.636 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.214 -7.326 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.211 -6.310 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.083 -4.984 5.944 1.00 0.00 H new ATOM 674 N THR A 46 -8.743 -5.035 2.182 1.00 0.00 N ATOM 675 CA THR A 46 -9.420 -4.768 0.901 1.00 0.00 C ATOM 676 C THR A 46 -8.550 -5.346 -0.216 1.00 0.00 C ATOM 677 O THR A 46 -9.029 -5.696 -1.277 1.00 0.00 O ATOM 678 CB THR A 46 -9.545 -3.231 0.814 1.00 0.00 C ATOM 679 OG1 THR A 46 -10.875 -2.892 0.454 1.00 0.00 O ATOM 680 CG2 THR A 46 -8.574 -2.648 -0.229 1.00 0.00 C ATOM 0 H THR A 46 -8.007 -4.371 2.423 1.00 0.00 H new ATOM 0 HA THR A 46 -10.407 -5.222 0.815 1.00 0.00 H new ATOM 0 HB THR A 46 -9.294 -2.811 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.961 -1.917 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.687 -1.564 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.550 -2.897 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.797 -3.069 -1.209 1.00 0.00 H new ATOM 688 N ILE A 47 -7.270 -5.466 0.030 1.00 0.00 N ATOM 689 CA ILE A 47 -6.382 -6.040 -1.003 1.00 0.00 C ATOM 690 C ILE A 47 -6.423 -7.568 -0.913 1.00 0.00 C ATOM 691 O ILE A 47 -6.042 -8.262 -1.833 1.00 0.00 O ATOM 692 CB ILE A 47 -4.975 -5.517 -0.732 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.011 -4.035 -0.374 1.00 0.00 C ATOM 694 CG2 ILE A 47 -4.180 -5.659 -2.013 1.00 0.00 C ATOM 695 CD1 ILE A 47 -3.685 -3.627 0.267 1.00 0.00 C ATOM 0 H ILE A 47 -6.812 -5.191 0.899 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.698 -5.754 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.535 -6.077 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.192 -3.439 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.834 -3.837 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.166 -5.293 -1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.146 -6.708 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.656 -5.078 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.715 -2.568 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.523 -4.213 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.871 -3.809 -0.434 1.00 0.00 H new ATOM 707 N GLN A 48 -6.900 -8.116 0.175 1.00 0.00 N ATOM 708 CA GLN A 48 -6.973 -9.588 0.249 1.00 0.00 C ATOM 709 C GLN A 48 -8.386 -10.042 -0.120 1.00 0.00 C ATOM 710 O GLN A 48 -8.652 -11.218 -0.274 1.00 0.00 O ATOM 711 CB GLN A 48 -6.606 -9.967 1.674 1.00 0.00 C ATOM 712 CG GLN A 48 -5.272 -10.727 1.667 1.00 0.00 C ATOM 713 CD GLN A 48 -5.320 -11.851 0.626 1.00 0.00 C ATOM 714 OE1 GLN A 48 -6.203 -12.685 0.660 1.00 0.00 O ATOM 715 NE2 GLN A 48 -4.402 -11.916 -0.310 1.00 0.00 N ATOM 0 H GLN A 48 -7.234 -7.611 0.996 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.291 -10.075 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.525 -9.072 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.389 -10.587 2.111 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.454 -10.043 1.439 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.074 -11.142 2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.658 -11.219 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.433 -12.664 -1.003 1.00 0.00 H new ATOM 724 N TYR A 49 -9.285 -9.103 -0.296 1.00 0.00 N ATOM 725 CA TYR A 49 -10.680 -9.447 -0.691 1.00 0.00 C ATOM 726 C TYR A 49 -11.136 -10.744 -0.017 1.00 0.00 C ATOM 727 O TYR A 49 -10.717 -11.069 1.076 1.00 0.00 O ATOM 728 CB TYR A 49 -10.599 -9.619 -2.207 1.00 0.00 C ATOM 729 CG TYR A 49 -9.900 -8.425 -2.819 1.00 0.00 C ATOM 730 CD1 TYR A 49 -8.508 -8.296 -2.712 1.00 0.00 C ATOM 731 CD2 TYR A 49 -10.642 -7.447 -3.492 1.00 0.00 C ATOM 732 CE1 TYR A 49 -7.859 -7.188 -3.278 1.00 0.00 C ATOM 733 CE2 TYR A 49 -9.994 -6.341 -4.057 1.00 0.00 C ATOM 734 CZ TYR A 49 -8.603 -6.212 -3.949 1.00 0.00 C ATOM 735 OH TYR A 49 -7.967 -5.122 -4.505 1.00 0.00 O ATOM 0 H TYR A 49 -9.106 -8.105 -0.181 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.401 -8.687 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.058 -10.533 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.600 -9.720 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.935 -9.050 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.714 -7.545 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.787 -7.089 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.567 -5.587 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.629 -4.541 -4.935 1.00 0.00 H new ATOM 745 N SER A 50 -11.997 -11.486 -0.660 1.00 0.00 N ATOM 746 CA SER A 50 -12.482 -12.759 -0.055 1.00 0.00 C ATOM 747 C SER A 50 -12.882 -12.529 1.405 1.00 0.00 C ATOM 748 O SER A 50 -12.297 -13.083 2.314 1.00 0.00 O ATOM 749 CB SER A 50 -11.296 -13.718 -0.144 1.00 0.00 C ATOM 750 OG SER A 50 -11.005 -13.981 -1.511 1.00 0.00 O ATOM 0 H SER A 50 -12.385 -11.266 -1.577 1.00 0.00 H new ATOM 0 HA SER A 50 -13.360 -13.153 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.425 -13.284 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.526 -14.648 0.376 1.00 0.00 H new ATOM 0 HG SER A 50 -10.243 -14.595 -1.571 1.00 0.00 H new ATOM 756 N LYS A 51 -13.874 -11.712 1.634 1.00 0.00 N ATOM 757 CA LYS A 51 -14.311 -11.443 3.035 1.00 0.00 C ATOM 758 C LYS A 51 -14.742 -12.743 3.717 1.00 0.00 C ATOM 759 O LYS A 51 -15.779 -13.301 3.413 1.00 0.00 O ATOM 760 CB LYS A 51 -15.497 -10.487 2.902 1.00 0.00 C ATOM 761 CG LYS A 51 -15.030 -9.177 2.266 1.00 0.00 C ATOM 762 CD LYS A 51 -15.683 -9.016 0.892 1.00 0.00 C ATOM 763 CE LYS A 51 -16.509 -7.727 0.865 1.00 0.00 C ATOM 764 NZ LYS A 51 -15.516 -6.641 0.640 1.00 0.00 N ATOM 0 H LYS A 51 -14.401 -11.219 0.913 1.00 0.00 H new ATOM 0 HA LYS A 51 -13.511 -11.019 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -16.277 -10.942 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.932 -10.292 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.293 -8.335 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.944 -9.175 2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.918 -8.986 0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.321 -9.874 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.254 -7.752 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.047 -7.583 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.007 -5.726 0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.833 -6.627 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.013 -6.811 -0.254 1.00 0.00 H new ATOM 778 N HIS A 52 -13.957 -13.230 4.638 1.00 0.00 N ATOM 779 CA HIS A 52 -14.324 -14.493 5.340 1.00 0.00 C ATOM 780 C HIS A 52 -14.165 -14.322 6.854 1.00 0.00 C ATOM 781 O HIS A 52 -15.166 -14.386 7.547 1.00 0.00 O ATOM 782 CB HIS A 52 -13.344 -15.541 4.812 1.00 0.00 C ATOM 783 CG HIS A 52 -14.112 -16.674 4.187 1.00 0.00 C ATOM 784 ND1 HIS A 52 -15.065 -16.467 3.201 1.00 0.00 N ATOM 785 CD2 HIS A 52 -14.078 -18.030 4.397 1.00 0.00 C ATOM 786 CE1 HIS A 52 -15.562 -17.669 2.859 1.00 0.00 C ATOM 787 NE2 HIS A 52 -14.995 -18.657 3.557 1.00 0.00 N ATOM 788 OXT HIS A 52 -13.043 -14.130 7.293 1.00 0.00 O ATOM 0 H HIS A 52 -13.077 -12.808 4.935 1.00 0.00 H new ATOM 0 HA HIS A 52 -15.360 -14.779 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.675 -15.092 4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.721 -15.914 5.625 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -15.339 -15.567 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -13.438 -18.534 5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -16.327 -17.818 2.111 1.00 0.00 H new TER 796 HIS A 52